SCHEMBL2413993

SCHEMBL2413993

O=C(NO)c1ccc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC3 O15379 2/20 0.58
MMP1 P03956 1/20 0.58
HDAC2 Q92769 2/20 0.54
MMP7 P09237 2/20 0.53
TBXA2R P21731 2/20 0.52
TBXAS1 P24557 1/20 0.52
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MMP10 P09238 1/20 0.51
MMP9 P14780 1/20 0.51
PRMT1 Q99873 2/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC4 P56524 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4916863 0.87 HDAC6 (0.76) HDAC6HDAC8HDAC3MMP1HDAC2
SCHEMBL2411710 0.84 PRMT1 (0.68) HDAC6HDAC8HDAC3HDAC2TBXA2R
SCHEMBL9660601 0.83 TBXA2R (0.70) MMP1MMP7TBXA2RTBXAS1ALDH1A1
SCHEMBL2413447 0.82 ALDH1A1 (0.52) HDAC6HDAC8HDAC3MMP1TBXA2R
SCHEMBL2410992 0.81 HDAC6 (0.59) HDAC6HDAC8HDAC3HDAC2TBXA2R
SCHEMBL10447516 0.81 TAAR1 (0.70) ALDH1A1LMNAHTTSMN1; SMN2PRMT1
SCHEMBL5185902 0.79 ALDH1A1 (0.56) MMP1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13623387 0.76 FLT1 (0.64) MMP1LMNAMEN1KMT2AL3MBTL1
SCHEMBL14880225 0.75 CES2 (0.64) HDAC6HDAC8HDAC3MMP1HDAC2
SCHEMBL10592411 0.75 MMP1 (0.55) HDAC6HDAC8HDAC3MMP1HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed